期刊
NATURE COMMUNICATIONS
卷 6, 期 -, 页码 -出版社
NATURE PUBLISHING GROUP
DOI: 10.1038/ncomms7294
关键词
-
资金
- DOE-Basic Energy Sciences [DE-SC0002633]
- National Science Foundation [TG-DMR110004, TG-DMR120025]
Strained oxide thin films are of interest for accelerating oxide ion conduction in electro-chemical devices. Although the effect of elastic strain has been uncovered theoretically, the effect of dislocations on the diffusion kinetics in such strained oxides is yet unclear. Here we investigate a 1/2<110>{100}edge dislocation by performing atomistic simulations in 4-12% doped CeO2 as a model fast ion conductor. At equilibrium, depending on the size of the dopant, trivalent cations and oxygen vacancies are found to simultaneously enrich or deplete either in the compressive or in the tensile strain fields around the dislocation. The associative interactions among the point defects in the enrichment zone and the lack of oxygen vacancies in the depletion zone slow down oxide ion transport. This finding is contrary to the fast diffusion of atoms along the dislocations in metals and should be considered when assessing the effects of strain on oxide ion conductivity.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据